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GPCR

NameG-protein coupled receptor 55
SpeciesHomo sapiens (Human)
GeneGPR55
SynonymGPR55
DiseaseN/A
Length319
Amino acid sequenceMSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProtQ9Y2T6
Protein Data BankN/A
GPCR-HGmod modelQ9Y2T6
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075322
IUPHAR109
DrugBankBE0005802

Ligand

NameCHEMBL2392162
Molecular formulaC18H12FNO6
IUPAC name6-fluoro-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
Molecular weight357.293
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50436014
4-Oxo-6-fluoro-8-(p-methoxybenzoylamino)-2-chromene-2-carboxylic acid
Inchi KeyAUJZEJXAHZISEO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H12FNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
PubChem CID71733651
ChEMBLCHEMBL2392162
IUPHARN/A
BindingDB50436014
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity7.0 %PMID23713606ChEMBL
Inhibition34.0 %PMID23713606ChEMBL

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